6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine

C14H25N3O2S — CID 116633181

IUPAC6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C14H25N3O2S/c1-7-8-15-12-9-11(14(3,4)5)16-13(17-12)10(2)20(6,18)19/h9-10H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyUAPZDXYFBPZFPW-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.70
Rot. Bonds5

About 6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine

6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine (PubChem CID 116633181) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
PubChem CID116633181
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C14H25N3O2S/c1-7-8-15-12-9-11(14(3,4)5)16-13(17-12)10(2)20(6,18)19/h9-10H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyUAPZDXYFBPZFPW-UHFFFAOYSA-N
XLogP2.70
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine
CID 79616490
6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 79197478
6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine
CID 62314163
6-ethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116633155
6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
CID 79089262
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
4-N-(2,2-dimethylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 103466665
6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116775920
6-tert-butyl-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
CID 62192335
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide
CID 133382599

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine (CID 116633181) is 6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)(C)C)nc(C(C)S(C)(=O)=O)n1.
What is the InChIKey of 6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine?
The InChIKey is UAPZDXYFBPZFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-7-8-15-12-9-11(14(3,4)5)16-13(17-12)10(2)20(6,18)19/h9-10H,7-8H2,1-6H3,(H,15,16,17).
What are the key properties of 6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine?
6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine has a molecular weight of 299.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116633181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).